0 mol 15 unq 0 iso 0 dist 6.82505 9.97507 5.17568 4.13564 7.88714 11.371 12.1303 11.2317 7.48342 13.345 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 9.71584 6.10339 10.8897 9.74255 8.40416 7.75618 8.6996 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 8.4674 7.67038 10.2774 6.50337 10.7864 9.74255 7.75618 8.40416 5.46754 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 4.51865 6.864 7.67038 4.13497 6.10339 10.8897 7.08342 8.40416 7.75618 8.6996 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 6.864 4.51865 7.67038 10.3465 6.50337 10.7864 7.08342 7.75618 8.40416 5.46754 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.86116 6.86014 10.0952 5.86882 6.07553 10.0889 4.32034 12.9284 7.33768 9.921 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.86116 6.86014 10.0952 5.86882 6.07553 10.0889 8.67951 13.4393 9.01567 13.7631 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.86116 6.86014 10.0952 5.86882 6.07553 10.0889 8.52463 8.60554 7.29868 11.3314 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.86116 6.86014 10.0952 9.9259 6.48457 9.11809 8.67951 13.4393 9.01567 9.4199 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.86116 6.86014 10.0952 9.9259 6.48457 9.11809 8.52463 8.60554 7.29868 3.4435 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.86116 6.86014 10.0952 9.9259 6.48457 9.11809 4.32034 12.9284 7.33768 12.6795 numMergedOcc 0
11 mol 54 unq 0 iso 0 dist 9.5589 6.83299 5.08001 15.2053 8.41018 11.78 4.29856 10.6808 6.14538 16.602 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 5.46695 8.77199 8.81824 8.09967 10.0796 7.54568 13.2941 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 11.3211 8.77199 8.81824 4.65335 10.0796 7.54568 13.2941 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 7.47541 5.73196 6.87425 11.3211 8.77199 13.821 4.65335 10.0796 9.39864 13.2941 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 6.19965 7.97049 5.42586 5.46695 8.81824 8.77199 9.29301 12.0078 9.82915 4.58085 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 7.66905 7.47541 5.42586 11.3211 8.81824 8.77199 13.5116 12.0078 9.82915 4.58085 numMergedOcc 0
17 mol 85 unq 5 iso 0 dist 7.66905 5.73196 10.1164 11.3211 8.81824 13.821 4.65335 7.54568 9.39864 13.2941 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 7.27724 8.03644 8.41707 14.2706 8.69749 16.0612 11.4333 12.1092 9.49454 15.1935 numMergedOcc 0
19 mol 95 unq 1 iso 0 dist 7.27724 8.03644 8.41707 11.0946 5.96576 14.145 11.4333 12.1092 9.49454 15.0211 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 6.80239 6.29155 7.81217 5.58281 8.75049 10.6168 4.54648 5.87634 6.16242 5.21958 numMergedOcc 0
21 mol 156 unq 0 iso 0 dist 7.66148 8.94056 10.1658 4.09911 8.6851 12.3863 6.13574 11.1147 9.4013 6.46853 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.70748 7.54065 13.8792 6.61139 9.28036 12.2442 11.7429 17.7621 8.73217 18.2492 numMergedOcc 0
23 mol 206 unq 0 iso 0 dist 7.7366 9.774 5.63422 8.77621 9.73419 6.11803 6.45859 6.16414 7.75885 7.87274 numMergedOcc 0
24 mol 206 unq 1 iso 0 dist 7.7366 9.774 5.63422 10.2691 9.99824 13.6535 6.45859 6.16414 7.75885 6.55611 numMergedOcc 0
25 mol 206 unq 2 iso 0 dist 9.774 7.7366 5.63422 8.77621 6.11803 9.73419 6.45859 7.75885 6.16414 7.87274 numMergedOcc 0
26 mol 206 unq 3 iso 0 dist 9.774 7.7366 5.63422 8.77621 6.11803 9.73419 4.40897 11.4872 7.33701 12.04 numMergedOcc 0
27 mol 206 unq 4 iso 0 dist 9.774 7.7366 5.63422 8.77621 6.11803 9.73419 7.62219 13.2041 8.0871 15.182 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 7.09863 7.22101 4.39704 6.16261 6.40086 9.68793 6.35849 6.02296 7.43071 5.78036 numMergedOcc 0
29 mol 227 unq 1 iso 0 dist 7.09863 7.22101 4.39704 6.16261 6.40086 9.68793 10.9607 9.74265 5.41321 14.7628 numMergedOcc 0
30 mol 231 unq 0 iso 0 dist 7.37839 8.40182 4.06055 6.58152 7.31553 10.1674 6.37275 6.98875 6.54852 6.90849 numMergedOcc 0
